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Chemical ID: 7561846
Chemical ID:
7561846
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)n(c-3nc(nc(=O)c3n2)[O-])CC(C(C(CO)O)O)O
InChi [?]:
InChI=1/C17H20N4O6/c1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15/h3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27)/p-1
InChi Info:
AuxInfo=1/1/N:1,8,3,6,19,23,2,7,4,5,20,22,16,21,10,14,12,17,11,13,9,24,27,25,26,15,18/rA:27cCCCCCCCCNCNCNCOCNO-CCCCCOOOO/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;d12;s13;d14;s10s14;s4d16;s12;s9;s19;s20;s21;s22;s23;s22;s21;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H19N4O6- |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | -34.6202 |
Area: | 557.748 |
Solvation: | -48.5639 |
Coulombic: | -86.3623 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 5 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | -1.45 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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